N-[1-[4-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]morpholin-2-yl]ethyl]methanesulfonamide;N-[1-[4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]morpholin-2-yl]ethyl]methanesulfonamide;2-[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]ethyl-imino-methyl-oxo-λ6-sulfane;bis(4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-(1H-pyrazol-4-yl)morpholine)

C96H102F10N32O9S3 — CID 158237142

About N-[1-[4-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]morpholin-2-yl]ethyl]methanesulfonamide;N-[1-[4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]morpholin-2-yl]ethyl]methanesulfonamide;2-[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]ethyl-imino-methyl-oxo-λ6-sulfane;bis(4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-(1H-pyrazol-4-yl)morpholine)

N-[1-[4-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]morpholin-2-yl]ethyl]methanesulfonamide;N-[1-[4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]morpholin-2-yl]ethyl]methanesulfonamide;2-[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]ethyl-imino-methyl-oxo-λ6-sulfane;bis(4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-(1H-pyrazol-4-yl)morpholine) (PubChem CID 158237142) has the molecular formula C96H102F10N32O9S3 and a molecular weight of 2134.27 g/mol. Its IUPAC name is N-[1-[4-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]morpholin-2-yl]ethyl]methanesulfonamide;N-[1-[4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]morpholin-2-yl]ethyl]methanesulfonamide;2-[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]ethyl-imino-methyl-oxo-λ6-sulfane;bis(4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-(1H-pyrazol-4-yl)morpholine).

Molecular Properties

• Compound Name: N-[1-[4-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]morpholin-2-yl]ethyl]methanesulfonamide;N-[1-[4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]morpholin-2-yl]ethyl]methanesulfonamide;2-[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]ethyl-imino-methyl-oxo-λ6-sulfane;bis(4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-(1H-pyrazol-4-yl)morpholine)
• PubChem CID: 158237142
• Molecular Formula: C96H102F10N32O9S3
• Molecular Weight: 2134.27 g/mol
• Exact Mass: 2132.75
• IUPAC Name: N-[1-[4-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]morpholin-2-yl]ethyl]methanesulfonamide;N-[1-[4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]morpholin-2-yl]ethyl]methanesulfonamide;2-[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]ethyl-imino-methyl-oxo-λ6-sulfane;bis(4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-(1H-pyrazol-4-yl)morpholine)
• SMILES: CC(NS(C)(=O)=O)C1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ccn2)CCO1.CC(NS(C)(=O)=O)C1CN(c2ccnc(-c3cnc4ccc(C(F)F)nn34)c2)CCO1.FC(F)c1ccc2ncc(-c3ccnc(N4CCOC(c5cn[nH]c5)C4)c3)n2n1.FC(F)c1ccc2ncc(-c3ccnc(N4CCOC(c5cn[nH]c5)C4)c3)n2n1.[H]N=S(C)(=O)CCC1CCCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ccn2)C1
• InChI: InChI=1S/C20H24F2N6OS.2C19H17F2N7O.2C19H22F2N6O3S/c1-30(23,29)10-7-14-3-2-9-27(13-14)19-11-15(6-8-24-19)17-12-25-18-5-4-16(20(21)22)26-28(17)18;2*20-19(21)14-1-2-17-23-10-15(28(17)26-14)12-3-4-22-18(7-12)27-5-6-29-16(11-27)13-8-24-25-9-13;1-12(25-31(2,28)29)16-11-26(7-8-30-16)18-9-13(5-6-22-18)15-10-23-17-4-3-14(19(20)21)24-27(15)17;1-12(25-31(2,28)29)17-11-26(7-8-30-17)13-5-6-22-15(9-13)16-10-23-18-4-3-14(19(20)21)24-27(16)18/h4-6,8,11-12,14,20,23H,2-3,7,9-10,13H2,1H3;2*1-4,7-10,16,19H,5-6,11H2,(H,24,25);3-6,9-10,12,16,19,25H,7-8,11H2,1-2H3;3-6,9-10,12,17,19,25H,7-8,11H2,1-2H3
• InChIKey: GFCGEYDIWXSAKI-UHFFFAOYSA-N
• XLogP: 13.82
• TPSA: 459.14 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 37
• Rotatable Bonds: 26
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2134.27
LogP ≤ 5	13.82
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]morpholin-2-yl]ethyl]methanesulfonamide;N-[1-[4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]morpholin-2-yl]ethyl]methanesulfonamide;2-[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]ethyl-imino-methyl-oxo-λ6-sulfane;bis(4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-(1H-pyrazol-4-yl)morpholine)?

The IUPAC name of N-[1-[4-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]morpholin-2-yl]ethyl]methanesulfonamide;N-[1-[4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]morpholin-2-yl]ethyl]methanesulfonamide;2-[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]ethyl-imino-methyl-oxo-λ6-sulfane;bis(4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-(1H-pyrazol-4-yl)morpholine) (CID 158237142) is N-[1-[4-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]morpholin-2-yl]ethyl]methanesulfonamide;N-[1-[4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]morpholin-2-yl]ethyl]methanesulfonamide;2-[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]ethyl-imino-methyl-oxo-λ6-sulfane;bis(4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-(1H-pyrazol-4-yl)morpholine).

What is the SMILES notation for N-[1-[4-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]morpholin-2-yl]ethyl]methanesulfonamide;N-[1-[4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]morpholin-2-yl]ethyl]methanesulfonamide;2-[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]ethyl-imino-methyl-oxo-λ6-sulfane;bis(4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-(1H-pyrazol-4-yl)morpholine)?

The canonical SMILES for N-[1-[4-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]morpholin-2-yl]ethyl]methanesulfonamide;N-[1-[4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]morpholin-2-yl]ethyl]methanesulfonamide;2-[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]ethyl-imino-methyl-oxo-λ6-sulfane;bis(4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-(1H-pyrazol-4-yl)morpholine) is CC(NS(C)(=O)=O)C1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ccn2)CCO1.CC(NS(C)(=O)=O)C1CN(c2ccnc(-c3cnc4ccc(C(F)F)nn34)c2)CCO1.FC(F)c1ccc2ncc(-c3ccnc(N4CCOC(c5cn[nH]c5)C4)c3)n2n1.FC(F)c1ccc2ncc(-c3ccnc(N4CCOC(c5cn[nH]c5)C4)c3)n2n1.[H]N=S(C)(=O)CCC1CCCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ccn2)C1.

What is the InChIKey of N-[1-[4-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]morpholin-2-yl]ethyl]methanesulfonamide;N-[1-[4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]morpholin-2-yl]ethyl]methanesulfonamide;2-[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]ethyl-imino-methyl-oxo-λ6-sulfane;bis(4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-(1H-pyrazol-4-yl)morpholine)?

The InChIKey is GFCGEYDIWXSAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N6OS.2C19H17F2N7O.2C19H22F2N6O3S/c1-30(23,29)10-7-14-3-2-9-27(13-14)19-11-15(6-8-24-19)17-12-25-18-5-4-16(20(21)22)26-28(17)18;2*20-19(21)14-1-2-17-23-10-15(28(17)26-14)12-3-4-22-18(7-12)27-5-6-29-16(11-27)13-8-24-25-9-13;1-12(25-31(2,28)29)16-11-26(7-8-30-16)18-9-13(5-6-22-18)15-10-23-17-4-3-14(19(20)21)24-27(15)17;1-12(25-31(2,28)29)17-11-26(7-8-30-17)13-5-6-22-15(9-13)16-10-23-18-4-3-14(19(20)21)24-27(16)18/h4-6,8,11-12,14,20,23H,2-3,7,9-10,13H2,1H3;2*1-4,7-10,16,19H,5-6,11H2,(H,24,25);3-6,9-10,12,16,19,25H,7-8,11H2,1-2H3;3-6,9-10,12,17,19,25H,7-8,11H2,1-2H3.

What are the key properties of N-[1-[4-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]morpholin-2-yl]ethyl]methanesulfonamide;N-[1-[4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]morpholin-2-yl]ethyl]methanesulfonamide;2-[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]ethyl-imino-methyl-oxo-λ6-sulfane;bis(4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-(1H-pyrazol-4-yl)morpholine)?

N-[1-[4-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]morpholin-2-yl]ethyl]methanesulfonamide;N-[1-[4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]morpholin-2-yl]ethyl]methanesulfonamide;2-[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]ethyl-imino-methyl-oxo-λ6-sulfane;bis(4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-(1H-pyrazol-4-yl)morpholine) has a molecular weight of 2134.27 g/mol, XLogP of 13.82, 26 rotatable bonds, 5 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[4-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]morpholin-2-yl]ethyl]methanesulfonamide;N-[1-[4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]morpholin-2-yl]ethyl]methanesulfonamide;2-[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]ethyl-imino-methyl-oxo-λ6-sulfane;bis(4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-(1H-pyrazol-4-yl)morpholine) is sourced from PubChem (CID 158237142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).